Methyl 4,4,4-triphenylbut-2-ynoate
TL;DR: Methyl 4,4,4-triphenylbut-2-ynoate (CAS 20033-17-4) is a chemical compound with molecular formula C23H18O2 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-triphenylbut-2-ynoate
Also Known As: methyl 4,4,4-triphenylbut-2-ynoate
| Molecular Formula | C23H18O2 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.13068 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 20033-17-4 |
|---|---|
| SMILES | COC(=O)C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | BYRQKRCOJMENMJ-UHFFFAOYSA-N |
Product Overview
Methyl 4,4,4-triphenylbut-2-ynoate (CAS 20033-17-4), with molecular formula C23H18O2 and molecular weight 326.13 g/mol. IUPAC: methyl 4,4,4-triphenylbut-2-ynoate.
Chemical Property Profile of Methyl 4,4,4-triphenylbut-2-ynoate
Property Insights of Methyl 4,4,4-triphenylbut-2-ynoate
The XLogP value of 5.8 indicates that Methyl 4,4,4-triphenylbut-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4,4,4-triphenylbut-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,4-triphenylbut-2-ynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4,4,4-triphenylbut-2-ynoate?
The CAS number of Methyl 4,4,4-triphenylbut-2-ynoate is 20033-17-4.
What is the molecular formula of Methyl 4,4,4-triphenylbut-2-ynoate?
The molecular formula of Methyl 4,4,4-triphenylbut-2-ynoate is C23H18O2.
What is the molecular weight of Methyl 4,4,4-triphenylbut-2-ynoate?
The molecular weight of Methyl 4,4,4-triphenylbut-2-ynoate is 326.13 g/mol.
Where can I buy Methyl 4,4,4-triphenylbut-2-ynoate?
You can request a quote for Methyl 4,4,4-triphenylbut-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,4-triphenylbut-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-triphenylbut-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.